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(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-3-octanamine
SpectraBase Compound ID Jk6PVGRgAlD
InChI InChI=1S/C18H31NO/c1-5-6-12-16(17(19)18(2,3)4)14-20-13-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14,19H2,1-4H3/t16-,17-/m0/s1
InChIKey JGXAKLSJVKPBEV-IRXDYDNUSA-N
Mol Weight 277.45 g/mol
Molecular Formula C18H31NO
Exact Mass 277.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B23gslUZr3A
Name (3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-3-octanamine
Alternate Name(s) (3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)octan-3-amine [(1S,2R)-2-(benzoxymethyl)-1-tert-butyl-hexyl]amine
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Formula C18H31NO
InChI InChI=1S/C18H31NO/c1-5-6-12-16(17(19)18(2,3)4)14-20-13-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14,19H2,1-4H3/t16-,17-/m0/s1
InChIKey JGXAKLSJVKPBEV-IRXDYDNUSA-N
Molecular Weight 277.452 g/mol
SMILES N[C@](C(C)(C)C)([C@](COCc1ccccc1)(CCCC)[H])[H]
SPLASH splash10-022l-9450000000-36c2d4b05e37e92125d2
Source of Spectrum K1-2004-4478-4
Wiley ID 1561847